methyl 2-[[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[2-hydroxyethyl-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCO)C(=S)NC3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCO)C(=S)NC3=CC=CC=C3C(=O)OC)C

InChI

InChI=1S/C23H25N3O4S/c1-14-8-9-16-12-17(21(28)25-20(16)15(14)2)13-26(10-11-27)23(31)24-19-7-5-4-6-18(19)22(29)30-3/h4-9,12,27H,10-11,13H2,1-3H3,(H,24,31)(H,25,28)